Title: Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution Year: 2019
Authors (8):
S. J. Bennie, N. Lawan, S. J. Macrae, F. R. Manby, A. J. Mulholland, K. E. Ranaghan, D. Shchepanovska, J. Zurek
Publisher: Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.8b00940 article-journal
Themes: Biocatalysis (2019)
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Title: Understanding the Role of Internal Diffusion Barriers in Pt/Beta Zeolite Catalyzed Isomerization of n‐Heptane Year: 2019
Authors (6):
Z. Guo, X. Li, S. Hu, G. Ye, X. Zhou, M. -O. Coppens
Publisher: Angewandte Chemie International Edition
DOI: 10.1002/anie.201913660 journal-article
Themes: Design (2019)
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Title: Asymmetric Construction of Alkaloids by Employing a Key ω‐Transaminase Cascade Year: 2020
Authors (6):
F. Taday, J. Ryan, S. P. Argent, V. Caprio, B. Maciá, E. O'Reilly
Publisher: Chemistry - A European Journal
DOI: 10.1002/chem.202000067 article-journal
Themes: Biocatalysis (2020)
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Title: Bio‐based and Degradable Block Polyester Pressure‐Sensitive Adhesives Year: 2020
Authors (5):
T. T. . D. .Chen, L. P. ñA. Carrodeguas, G. S. Sulley, G. L. Gregory, C. K. Williams
Publisher: Angewandte Chemie International Edition
DOI: 10.1002/anie.202006807 journal-article
Themes: Transformations (2020)
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Title: Design, Identification, and Evolution of a Surface Ruthenium(II/III) Single Site for CO Activation Year: 2020
Authors (11):
L. Kang, B. Wang, A. Thetford, K. Wu, M. Danaie, Q. He, E. K. Gibson, L. -D. Sun, H. Asakura, C. R. A. .Catlow, F. R. Wang
Publisher: Angewandte Chemie International Edition
DOI: 10.1002/anie.202008370 article-journal
Themes: BAG (2020), Design (2020)
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Title: One‐Pot Synthesis of Chiral N‐Arylamines by Combining Biocatalytic Aminations with Buchwald–Hartwig N‐Arylation Year: 2020
Authors (5):
S. C. Cosgrove, M. P. Thompson, S. T. Ahmed, F. Parmeggiani, N. J. Turner
Publisher: Angewandte Chemie International Edition
DOI: 10.1002/anie.202006246 journal-article
Themes: Biocatalysis (2020)
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Title: Heterocycle/Heteroallene Ring Opening Copolymerisation: Selective Catalysis Delivering Alternating Copolymers Year: 2021
Authors (2):
C. K. Williams, A. Plajer
Publisher: Angewandte Chemie International Edition
DOI: 10.1002/anie.202104495 journal-article
Themes: Circular Economy (2021)
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Title: Heterotrimetallic Carbon Dioxide Copolymerization and Switchable Catalysts: Sodium is the Key to High Activity and Unusual Selectivity Year: 2021
Authors (2):
A. Plajer, C. K. Williams
Publisher: Angewandte Chemie International Edition
DOI: 10.1002/anie.202101180 journal-article
Themes: Circular Economy (2021)
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Title: Multiscale Workflow for Modeling Ligand Complexes of Zinc Metalloproteins Year: 2021
Authors (8):
Z. Yang, R. M. Twidale, S. Gervasoni, R. Suardíaz, C. K. Colenso, E. J. M. .Lang, J. Spencer, A. J. Mulholland
Publisher: Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.1c01109 journal-article
Themes: Biocatalysis (2021)
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Title: The Electrophilicity of Surface Carbon Species in the Redox Reactions of CuO‐CeO2Catalysts Year: 2021
Authors (18):
L. Kang, B. Wang, A. T. Güntner, S. Xu, X. Wan, Y. Liu, S. Marlow, Y. Ren, D. Gianolio, C. C. Tang, V. Murzin, H. Asakura, Q. He, S. Guan, J. J. Velasco-Vélez, S. E. Pratsinis, Y. Guo, F. R. Wang
Publisher: Angewandte Chemie International Edition
DOI: 10.1002/anie.202102570 journal-article
Themes: BAG (2021)
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